[3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone

C21H22N4O2 — CID 31223639

IUPAC[3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc2nc(-c3cnc(C)nc3)c(C)c(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C21H22N4O2/c1-13-4-5-18-17(10-13)19(21(26)25-6-8-27-9-7-25)14(2)20(24-18)16-11-22-15(3)23-12-16/h4-5,10-12H,6-9H2,1-3H3
InChIKeyIPKPAPWKUDTUCL-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.09
Rot. Bonds2

About [3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone

[3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 31223639) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID31223639
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc2nc(-c3cnc(C)nc3)c(C)c(C(=O)N3CCOCC3)c2c1
InChIInChI=1S/C21H22N4O2/c1-13-4-5-18-17(10-13)19(21(26)25-6-8-27-9-7-25)14(2)20(24-18)16-11-22-15(3)23-12-16/h4-5,10-12H,6-9H2,1-3H3
InChIKeyIPKPAPWKUDTUCL-UHFFFAOYSA-N
XLogP3.09
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone (CID 31223639) is [3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone is Cc1ccc2nc(-c3cnc(C)nc3)c(C)c(C(=O)N3CCOCC3)c2c1.
What is the InChIKey of [3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is IPKPAPWKUDTUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-4-5-18-17(10-13)19(21(26)25-6-8-27-9-7-25)14(2)20(24-18)16-11-22-15(3)23-12-16/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of [3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone?
[3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 362.43 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethyl-2-(2-methylpyrimidin-5-yl)quinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 31223639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).